Endohedrally doped cage clusters
J Zhao, Q Du, S Zhou, V Kumar - Chemical Reviews, 2020 - ACS Publications
The discovery of carbon fullerene cages and their solids opened a new avenue to build
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …
Machine learning: a new paradigm in computational electrocatalysis
Designing and screening novel electrocatalysts, understanding electrocatalytic mechanisms
at an atomic level, and uncovering scientific insights lie at the center of the development of …
at an atomic level, and uncovering scientific insights lie at the center of the development of …
In-situ reconstructed Ru atom array on α-MnO2 with enhanced performance for acidic water oxidation
The development of acid-stable oxygen evolution reaction electrocatalysts is essential for
high-performance water splitting. Here, we report an electrocatalyst with Ru-atom-array …
high-performance water splitting. Here, we report an electrocatalyst with Ru-atom-array …
Density functional theory calculations for insight into the heterocatalyst reactivity and mechanism in persulfate-based advanced oxidation reactions
Advanced oxidation processes (AOPs) based on persulfates such as peroxymonosulfate
and peroxydisulfate via heterogeneous catalysts have been a research hotspot due to their …
and peroxydisulfate via heterogeneous catalysts have been a research hotspot due to their …
Tuning the CO2 Hydrogenation Selectivity of Rhodium Single‐Atom Catalysts on Zirconium Dioxide with Alkali Ions
Tuning the coordination environments of metal single atoms (M1) in single‐atom catalysts
has shown large impacts on catalytic activity and stability but often barely on selectivity in …
has shown large impacts on catalytic activity and stability but often barely on selectivity in …
Silica-water superstructure and one-dimensional superionic conduit in Earth's mantle
Water in Earth's deep interior is predicted to be hydroxyl (OH−) stored in nominally
anhydrous minerals, profoundly modulating both structure and dynamics of Earth's mantle …
anhydrous minerals, profoundly modulating both structure and dynamics of Earth's mantle …
Observation of an all-boron fullerene
After the discovery of fullerene-C60, it took almost two decades for the possibility of boron-
based fullerene structures to be considered. So far, there has been no experimental …
based fullerene structures to be considered. So far, there has been no experimental …
Machine learning for atomic simulation and activity prediction in heterogeneous catalysis: current status and future
Heterogeneous catalysis, for its industrial importance and great complexity in structure, has
long been the testing ground of new characterization techniques. Machine learning (ML) as …
long been the testing ground of new characterization techniques. Machine learning (ML) as …
Thermodynamics versus kinetics in nanosynthesis
Y Wang, J He, C Liu, WH Chong… - Angewandte Chemie …, 2015 - Wiley Online Library
One may discover a stone tool by chance but it takes more than luck to make a car or cell
phone. With the advance of nanoscience, the synthesis of increasingly sophisticated …
phone. With the advance of nanoscience, the synthesis of increasingly sophisticated …
Zeolite-confined subnanometric PtSn mimicking mortise-and-tenon joinery for catalytic propane dehydrogenation
Heterogeneous catalysts are often composite materials synthesized via several steps of
chemical transformation, and thus the atomic structure in composite is a black-box. Herein …
chemical transformation, and thus the atomic structure in composite is a black-box. Herein …